UCSF

ZINC36103501

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 24 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.02 8.82 -5.51 1 2 0 23 341.451 7
Lo Low (pH 4.5-6) 4.02 10.96 -43.21 2 2 1 25 342.459 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )